# generated using pymatgen data_Li3Ti2V5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11506300 _cell_length_b 5.21652775 _cell_length_c 29.54325534 _cell_angle_alpha 89.22257517 _cell_angle_beta 88.67758004 _cell_angle_gamma 61.17262760 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti2V5O12 _chemical_formula_sum 'Li9 Ti6 V15 O36' _cell_volume 690.42336366 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.33471200 0.84365600 0.49737100 1.0 Li Li1 1 0.00319500 0.83241900 0.16273100 1.0 Li Li2 1 0.00208000 0.16356700 0.08360400 1.0 Li Li3 1 0.00610100 0.17639600 0.33734500 1.0 Li Li4 1 0.97346400 0.17747800 0.82868600 1.0 Li Li5 1 0.34155500 0.15755200 0.41495500 1.0 Li Li6 1 0.34584800 0.16363100 0.66959300 1.0 Li Li7 1 0.68141800 0.15275700 0.00290300 1.0 Li Li8 1 0.66787500 0.16344300 0.75086300 1.0 Ti Ti9 1 0.65237700 0.50073700 0.41990100 1.0 Ti Ti10 1 0.66270200 0.50155800 0.91761200 1.0 Ti Ti11 1 0.00259000 0.49593100 0.24982400 1.0 Ti Ti12 1 0.00557400 0.52227200 0.74651100 1.0 Ti Ti13 1 0.34115500 0.50976100 0.08008600 1.0 Ti Ti14 1 0.33710500 0.49631800 0.58308700 1.0 V V15 1 0.34596300 0.83978400 0.25015000 1.0 V V16 1 0.32129700 0.85510000 0.75178900 1.0 V V17 1 0.64903800 0.85299500 0.08576800 1.0 V V18 1 0.67802000 0.83909200 0.58293700 1.0 V V19 1 0.98626600 0.85332000 0.41478300 1.0 V V20 1 0.67991500 0.48128300 0.16368500 1.0 V V21 1 0.00815800 0.83616300 0.91592700 1.0 V V22 1 0.67329700 0.49011500 0.66886300 1.0 V V23 1 0.00459300 0.48540500 0.00238900 1.0 V V24 1 0.00934800 0.48779800 0.49778200 1.0 V V25 1 0.32931400 0.49660200 0.33635900 1.0 V V26 1 0.99730300 0.14901100 0.58385600 1.0 V V27 1 0.33981200 0.49276600 0.82981400 1.0 V V28 1 0.33793900 0.14291600 0.91523400 1.0 V V29 1 0.66133200 0.14712000 0.24993200 1.0 O O30 1 0.35045000 0.79033900 0.12367900 1.0 O O31 1 0.33211100 0.80676400 0.37632700 1.0 O O32 1 0.35395700 0.80294700 0.62012600 1.0 O O33 1 0.34930400 0.79544500 0.87656200 1.0 O O34 1 0.70037700 0.79617000 0.21012700 1.0 O O35 1 0.68329400 0.80304800 0.45256700 1.0 O O36 1 0.66200000 0.81804600 0.71360400 1.0 O O37 1 0.69167200 0.80407200 0.95327600 1.0 O O38 1 0.65314400 0.50901800 0.04586400 1.0 O O39 1 0.99543600 0.80817000 0.04734000 1.0 O O40 1 0.02134200 0.79892500 0.28708600 1.0 O O41 1 0.66787600 0.47766300 0.28735600 1.0 O O42 1 0.66716000 0.50714700 0.54628600 1.0 O O43 1 0.03462200 0.80251500 0.54412700 1.0 O O44 1 0.63576500 0.51381300 0.78915000 1.0 O O45 1 0.01796100 0.81537500 0.78936400 1.0 O O46 1 0.96477000 0.53482600 0.12374400 1.0 O O47 1 0.01374200 0.50862200 0.37653900 1.0 O O48 1 0.00845300 0.48148700 0.62014500 1.0 O O49 1 0.01482800 0.49683100 0.87930200 1.0 O O50 1 0.34122000 0.50764400 0.21228000 1.0 O O51 1 0.98444900 0.18560700 0.21282800 1.0 O O52 1 0.98175900 0.18467500 0.45137600 1.0 O O53 1 0.32409200 0.53345000 0.45425400 1.0 O O54 1 0.32281300 0.51162600 0.71243400 1.0 O O55 1 0.97035000 0.18209700 0.95464000 1.0 O O56 1 0.01339500 0.19555300 0.71441600 1.0 O O57 1 0.34279100 0.48290300 0.95349700 1.0 O O58 1 0.30553300 0.19208500 0.28967000 1.0 O O59 1 0.34137400 0.18811400 0.04826300 1.0 O O60 1 0.32324300 0.18184400 0.54609200 1.0 O O61 1 0.28007500 0.21946200 0.79047100 1.0 O O62 1 0.65300300 0.19499800 0.12294600 1.0 O O63 1 0.63836600 0.18567700 0.62237900 1.0 O O64 1 0.66327800 0.21018700 0.37656600 1.0 O O65 1 0.67182800 0.19438700 0.87802100 1.0